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statis smilesparser for the test
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vedina authored and johnmay committed Oct 6, 2016
1 parent 1f4b09e commit 2ae1873
Showing 1 changed file with 6 additions and 2 deletions.
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import org.openscience.cdk.tools.ILoggingTool;
import org.openscience.cdk.tools.LoggingToolFactory;

/**
* @cdk.module test-standard
*/
public class CircularFingerprintSmartsTest extends CDKTestCase {

private static ILoggingTool logger = LoggingToolFactory
.createLoggingTool(CircularFingerprintSmartsTest.class);

public static SmilesParser parser = new SmilesParser(
SilentChemObjectBuilder.getInstance());

@Test
public void testMol1() throws Exception {
String molSmiles = "CC";
Expand Down Expand Up @@ -88,8 +94,6 @@ private void checkFPSmartsForMolecule(String moleculeSmiles,
// expectedFPSmarts[][] is a double array because for each smarts
// several equivalent variants
// of the smarts are given e.g. CCC C(C)C
SmilesParser parser = new SmilesParser(
SilentChemObjectBuilder.getInstance());
IAtomContainer mol = parser.parseSmiles(moleculeSmiles);

CircularFingerprinter circ = new CircularFingerprinter();
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